element(s):
['C']
AFLOW prototype label:
A_oC8_67_m
Parameter names:
['a', 'b/a', 'c/a', 'y1', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4679', '1.7318773', '3.3343328', '0.58332715', '0.24954517']
model name:
Tersoff_LAMMPS_Tersoff_1988_C__MO_579868029681_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.         0.41667285 0.24954517]]
spacegroup =  67
cell =  [[2.4679, 0, 0], [0, 4.2741, 0], [0, 0, 8.2288]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:46:14      -58.852059        1.6140
BFGS:    1 16:46:14      -58.921338        1.4083
BFGS:    2 16:46:14      -59.039166        1.0213
BFGS:    3 16:46:14      -59.110587        0.7682
BFGS:    4 16:46:14      -59.158293        0.2105
BFGS:    5 16:46:14      -59.164144        0.0094
BFGS:    6 16:46:14      -59.164153        0.0009
BFGS:    7 16:46:14      -59.164153        0.0007
BFGS:    8 16:46:14      -59.164153        0.0004
BFGS:    9 16:46:14      -59.164153        0.0001
BFGS:   10 16:46:14      -59.164153        0.0000
BFGS:   11 16:46:14      -59.164153        0.0000
BFGS:   12 16:46:14      -59.164153        0.0000
BFGS:   13 16:46:14      -59.164153        0.0000
Minimization converged after 13 steps.
Maximum force component: 4.4355396585144706e-10 eV/Angstrom
Maximum stress component: 9.444298652913414e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 4.16666667e-01 2.49545170e-01]
 [1.97257870e-37 8.33333333e-02 2.49545170e-01]
 [0.00000000e+00 9.16666667e-01 7.50454830e-01]
 [0.00000000e+00 5.83333333e-01 7.50454830e-01]
 [5.00000000e-01 9.16666667e-01 2.49545170e-01]
 [5.00000000e-01 5.83333333e-01 2.49545170e-01]
 [5.00000000e-01 4.16666667e-01 7.50454830e-01]
 [5.00000000e-01 8.33333333e-02 7.50454830e-01]]
cellpar =  Cell([[2.5296784691152765, 7.021980727080357e-37, 0.0], [6.401132009118975e-37, 4.38153163527585, 0.0], [0.0, 0.0, 8.228799999999998]])
forces =  [[-1.55903472e-32  4.43553966e-10  0.00000000e+00]
 [ 3.11806945e-32 -4.43553966e-10  0.00000000e+00]
 [ 6.48003421e-47  4.43553966e-10  0.00000000e+00]
 [-1.55903472e-32 -4.43553966e-10  0.00000000e+00]
 [-1.55903472e-32  4.43553966e-10  0.00000000e+00]
 [ 3.11806945e-32 -4.43553966e-10  0.00000000e+00]
 [ 6.48003421e-47  4.43553966e-10  0.00000000e+00]
 [-1.55903472e-32 -4.43553966e-10  0.00000000e+00]]
stress =  [-2.70453624e-11 -9.44429865e-11  0.00000000e+00  0.00000000e+00
  0.00000000e+00 -3.74413624e-47]
energy per atom =  -7.395519132241434
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0